A Hybrid Quantum Mechanical Approach: Intimate Details of Electron Transfer between Type-I CdSe/ZnS Quantum Dots and an Anthraquinone Molecule

Journal of Physical Chemistry B

Volumn 119, Issue 24, 2015, Pages 7651-7658

  Kaledin, Alexey L ^a   Lian, Tianquan ^a   Hill, Craig L ^a   Musaev, Djamaladdin G ^a  

^a EMORY UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIC COMPOUNDS; CADMIUM COMPOUNDS; COMPUTATION THEORY; ELECTRON TRANSITIONS; ENERGY GAP; FREE RADICAL REACTIONS; II-VI SEMICONDUCTORS; KETONES; MOLECULAR ORBITALS; MOLECULES; NANOCRYSTALS; WAVE FUNCTIONS; ZINC SULFIDE;

CDSE/ZNS QUANTUM DOTS; CHARGE RECOMBINATIONS; DENSITY-FUNCTIONAL LEVEL; EFFECTIVE MASS APPROXIMATION; ELECTRON TRANSFER RATES; HYBRID COMPUTATIONAL; MOLECULAR ORBITAL THEORY; SINGLY OCCUPIED MOLECULAR ORBITALS;

SEMICONDUCTOR QUANTUM DOTS;

EID: 84935034965     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp511935z     Document Type: Article

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